| General Property |
| Molceule ID (DB) | EGIN0000453 |
| Inhibitor Class | Benzoic nitrogen mustard derivative |
| Molecule Name in Refrence Article | 5g compound |
| IUPAC Name | 4-[bis(2-chloroethyl)amino]-N-(4-fluorophenyl)benzamide |
| Formula | C17H17Cl2FN2O |
| Mass | 355.234 |
| Exact Mass | 354.0701968 |
| Composition | C (57.48%), H (4.82%), Cl (19.96%), F (5.35%), N (7.89%), O (4.5%) |
| Atom Count | 40 |
| PI | 6.09 |
| Smiles | c1cc(ccc1N(CCCl)CCCl)C(=O)Nc1ccc(cc1)F |
| InChI | 1S/C17H17Cl2FN2O/c18-9-11-22(12-10-19)16-7-1-13(2-8-16)17(23)21-15-5-3-14(20)4-6-15/h1-8H,9-12H2,(H,
21,23) |
| InChIKey | NZRMGYDVIOWIFT-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 20005116 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24644005 |
| ChEMBL Link | CHEMBL592711 |
